2025-05-03_00000103
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ligand
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9GQV
Pseudomonas aeruginosa FabF C164A in complex with N-((1-((2-hydroxy-4-methylpentanamido)methyl)cyclobutyl)methyl)-1H-pyrazole-3-carboxamide;
X-ray diffraction 1.77Å
Protein #1
419 residues (98% resolved)
Raw Sequence ...
GHMASMSRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFGGSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERIGVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHLGLQGPNYALTTAATTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLGGFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARGARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYINAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEAIFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFGGTNGTLVFRRFAD
Canonical Sequence ...
GHMASMSRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFGGSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERIGVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHLGLQGPNYALTTAATTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLGGFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARGARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYINAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEAIFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFGGTNGTLVFRRFAD
Non polymer #2
A1IOR
InChI=1S/C16H26N4O3/c1-11(2)8-13(21)15(23)18-10-16(5-3-6-16)9-17-14(22)12-4-7-19-20-12/h4,7,11,13,21H,3,5-6,8-10H2,1-2H3,(H,17,22)(H,18,23)(H,19,20)/t13-/m0/s1
InChI=1S/C16H26N4O3/c1-11(2)8-13(21)15(23)18-10-16(5-3-6-16)9-17-14(22)12-4-7-19-20-12/h4,7,11,13,21H,3,5-6,8-10H2,1-2H3,(H,17,22)(H,18,23)(H,19,20)/t13-/m0/s1
SMILES: CC(C)C[C@@H](C(=O)NCC1(CCC1)CNC(=O)c2cc[nH]n2)O
CC(C)C[C@@H](C(=O)NCC1(CCC1)CNC(=O)c2cc[nH]n2)O
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #5
FMT
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
SMILES: C(=O)O
C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
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